an error when running NWChem6.3
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Forum Vet
10:39:58 AM PST - Wed, Nov 12th 2014
Quote:Liuwei
Nov 12th 1:11 am
here are my run steps
cd $NWCHEM_TOP
cd examples/qmd
mpirun -np 2 ../../bin/LINUX64/nwchem h2o_scf.nw
I monitored that my gpu isnot used when nwchem is running
How can I use my gpu
Thanks again
Only the CCSD(T) method from the TCE module uses GPU
For more information, please visit
http://nwchemgit.github.io/index.php/Release65:TCE#CCSD.28T.29_method_with_CUDA